Nano Science and Technology Institute
Nanotech 2011 Vol. 2
Nanotech 2011 Vol. 2
Nanotechnology 2011: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational
 
Chapter 9: Nano & Micro: Computational Methods, Simulation & Software Tools
 

Smectic structure of Nano Crystalline Cellulose Established by Large-Scale Parallel Molecular Dynamic Simulations

Authors:Y. Kadiri, D. Simon, G. Picard
Affilation:Ahuntsic College, CA
Pages:631 - 634
Keywords:nano crystalline cellulose, structural and optical properties, large-scale parallel molecular dynamics
Abstract:Structural and optical properties of Nano Crystalline Cellulose (NCC) in liquid solutions and in solid films were investigated by large-scale parallel molecular dynamics (MD) simulation using empirical Coulombian interaction potentials. Our calculations give a good description of the self-organization of NCC in liquid solution and in solid films and allow us to question the NCC nematic structure theory and propose an alternative structure theory.
ISBN:978-1-4398-7139-3
Pages:854
Hardcopy:$199.95
 
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